Geometry & MOs

Info

ID:	123270
PubChem CID:	50840072
Reduced:	N2S2F3O4H15C17 (1)
Stoich.:	A2B2C3D4E15F17 (1)
Weight, g/mol:	460.29506
ΔH_f, kcal/mol:	-211.68
Dipole, Da:	3.88
IP(EA), eV:	-8.33(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-1-(1-ethyl-3-methylpyrazolo[3,4-c]pyridin-7-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC(=C2)C3=NOC(=C3)C(F)(F)F)C

DOS

IR

Vibrations